MolNFT v1 · #35611 · protein

Crystal structure of a hypothetical PROTEIN(AQ1494) from aquifex aeolicus

2EGI · Hypothetical protein AQ_1494: “Crystal structure of a hypothetical PROTEIN(AQ1494) from aquifex aeolicus”. X-ray diffraction, 16 pockets (best druggability 0.78). MolNFT v1 #35611 on GenesisL1: 3D structure, binding sites and…

PDB: 2EGI
Type: protein
Length: 930 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein AQ_1494
UniProt: O67466
Pockets: 16 · best druggability 0.78

Structure

x-ray diffraction · 8 distinct chains · 25% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical protein AQ_1494	protein	123	26% helix, 44% strand	O67466
C	Hypothetical protein AQ_1494	protein	126	27% helix, 44% strand	O67466
D	Hypothetical protein AQ_1494	protein	125	27% helix, 46% strand	O67466
E	Hypothetical protein AQ_1494	protein	125	26% helix, 45% strand	O67466
F	Hypothetical protein AQ_1494	protein	123	26% helix, 47% strand	O67466
G	Hypothetical protein AQ_1494	protein	113	24% helix, 40% strand	O67466
H	Hypothetical protein AQ_1494	protein	97	22% helix, 51% strand	O67466
I	Hypothetical protein AQ_1494	protein	98	20% helix, 53% strand	O67466

Ligands and binding sites

GOL · Glycerol · additive · chains H

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	235	0.78	0.91	40	empty
2	223	0.77	0.91	38	empty
3	234	0.76	0.90	38	empty
4	316	0.75	0.87	47	empty
5	191	0.73	0.89	42	empty

Interfaces

14 interfaces between chains.

A–C · 965 Å² buried · 19 hydrogen bonds · protein-protein
D–F · 900 Å² buried · 15 hydrogen bonds · protein-protein
C–G · 883 Å² buried · 14 hydrogen bonds · protein-protein
E–I · 878 Å² buried · 15 hydrogen bonds · protein-protein
G–H · 868 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

2EGI · Crystal Structure of a Hypothetical Protein(AQ1494) from Aquifex aeolicus · the same entry in another collection · chain I against I, TM-score 1.00
O67466 · AlphaFold monomer V2.0 prediction for putative esterase AQ_1494 (O67466) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt O67466
Elsewhere: RCSB PDB 2EGI · PDBe 2EGI · UniProt O67466

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.